Diethylenetriaminepentaacetic Acid

CAT: 0203-12207-82Size: 25 gDry Ice: NoHazardous: No

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CAT#:0203-12207-82Size:25 g

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CAS Number

67-43-6

Purity

≧ 98.0% (T)

Storage Conditions

Room Temperature

Grade

GR (Guaranteed Reagent)

Chemical Information

Diethylenetriaminepentaacetic acid

Pentetic acid is a pentacarboxylic acid. It has a role as a copper chelator. It is a conjugate acid of a pentetate(1-).

CAS Number	67-43-6
PubChem CID	3053
IUPAC Name	2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
Molecular Formula	C14H23N3O10
Molecular Weight	393.35
XLogP	-8.5
Topological Polar Surface Area	196
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	16
Heavy Atom Count	27
Formal Charge	0
Complexity	481

SMILES

C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)

InChIKey

QPCDCPDFJACHGM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67-43-6

CID: 3053

Formula: C14H23N3O10

MW: 393.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	393.35
XLogP3	-8.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	16
Exact Mass	393.13834394
Monoisotopic Mass	393.13834394
Topological Polar Surface Area	196 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	481
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-214890A	Diethylenetriaminepentaacetic acid
2285GR100	Diethylenetriaminepentaacetic acid for biochemistry
FD46440-01	Diethylenetriaminepentaacetic acid dianhydride
LC-10583.1	Diethylenetriaminepentaacetic acid p.A.
D9380-01	Diethylenetriaminepentaacetic Acid (DTPA)
sc-252716	Diethylenetriaminepentaacetic acid α, ω-bis (biocytinamide)
OR1027994-01	Diethylenetriaminepentaacetic acid pentasodium salt
MBS5785533	calcium trinatruM diethylenetriaminepentaacetic acid hydrate
sc-487794	Diethylenetriaminepentaacetic Acid Calcium Trisodium Salt
M28224-01	Calcium trinatrium diethylenetriaminepentaacetic acid hydrate